propan-2-yl (4S)-6-azanyl-5-cyano-2-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate

Systemtic Name: propan-2-yl (4S)-6-azanyl-5-cyano-2-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate Openeye Name: isopropyl (4S)-6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanylmethyl]-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-2-[[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]methyl]-4-[4-(methylthio)phenyl]-4H-pyran-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4S)-6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylmethyl]-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-2-[[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]methyl]-4-[4-(methylthio)phenyl]-4H-pyran-3-carboxylic acid isopropyl ester Formula: C27H28N4O3S2 MolecularWeight: 520.66622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)SC)C(=O)OC(C)C)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC2=C([C@H](C(=C(O2)N)C#N)C3=CC=C(C=C3)SC)C(=O)OC(C)C)C

InChI

InChI=1S/C27H28N4O3S2/c1-14(2)33-27(32)24-22(13-36-26-20(11-28)16(4)15(3)17(5)31-26)34-25(30)21(12-29)23(24)18-7-9-19(35-6)10-8-18/h7-10,14,23H,13,30H2,1-6H3/t23-/m0/s1